Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL040499
SMILES CC1Oc2c(C1)cc(cc2)/C(=C\1/C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1nnc(s1)SCc1ccccc1Cl)/O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C36H28ClN3O5S2 MW 682.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H28ClN3O5S2/c1-21-16-26-17-24(14-15-29(26)45-21)32(41)30-31(23-11-7-12-27(18-23)44-19-22-8-3-2-4-9-22)40(34(43)33(30)42)35-38-39-36(47-35)46-20-25-10-5-6-13-28(25)37/h2-15,17-18,21,31,41H,16,19-20H2,1H3/b32-30+InChIKey
HIQIBUARVMFXSE-NHQGMKOOSA-NSynonyms
(4E)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5Cl)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
CC1Oc2c(C1)cc(cc2)C(=C1C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1nnc(s1)SCc1ccccc1Cl)O
InChI=1SC36H28ClN3O5S2c12116261724(141529(26)4521)32(41)3031(231171227(1823)4419228324922)40(34(43)33(30)42)35383936(4735)46202510561328(25)37h2151718213141H161920H21H3b3230+
MFCD05727382
ZINC000150441780
ZINC000150441793
Check stock
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Check stock on Vitas-MAvailable files
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